calcium (4E)-4-[(4-chloranyl-3-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylate

Systemtic Name: calcium (4E)-4-[(4-chloranyl-3-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylate Openeye Name: calcium (4E)-4-[(4-chloro-3-sulfonato-phenyl)hydrazono]-3-oxo-naphthalene-2-carboxylate CAS Name: calcium (4E)-4-[(4-chloro-3-sulfonatophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxylate IUPAC Name: calcium (4E)-4-[(4-chloro-3-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylate Traditional Name: calcium (4E)-4-[(4-chloro-3-sulfonato-phenyl)hydrazono]-3-keto-2-naphthoate Formula: C17H9CaClN2O6S MolecularWeight: 444.85916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)C2=NNC3=CC(=C(C=C3)Cl)S(=O)(=O)[O-])C(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C\2C(=C1)C=C(C(=O)/C2=N/NC3=CC(=C(C=C3)Cl)S(=O)(=O)[O-])C(=O)[O-].[Ca+2]

InChI

InChI=1S/C17H11ClN2O6S.Ca/c18-13-6-5-10(8-14(13)27(24,25)26)19-20-15-11-4-2-1-3-9(11)7-12(16(15)21)17(22)23;/h1-8,19H,(H,22,23)(H,24,25,26);/q;+2/p-2/b20-15+;